SCHEMBL1422155

SCHEMBL1422155

COc1ccc(Cc2nc(N)c3[nH]cnc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
ADORA3 P0DMS8 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.47
ATM Q13315 1/20 0.47
PDPK1 O15530 1/20 0.45
GDA Q9Y2T3 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PIN1 Q13526 2/20 0.45
ADORA1 P30542 1/20 0.43
POLA1 P09884 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRAF P15056 2/20 0.42
MAP3K5 Q99683 1/20 0.42
HTR6 P50406 1/20 0.42
HTT P42858 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL104931 0.82 PDE4A (0.64) ADORA3ALDH1A1CYP2D6PDPK1GDA
SCHEMBL29557469 0.82 PDE4A (0.64) ADORA3ALDH1A1CYP2D6PDPK1GDA
SCHEMBL1980128 0.82 PDPK1 (0.45) ADORA3CYP2D6PDPK1GDAPDE4A
SCHEMBL13268695 0.81 ENPP1 (0.46) ADORA3ALDH1A1PDPK1GDAPOLA1
SCHEMBL1422153 0.79 ALDH1A1 (0.47) MAPTALDH1A1CYP2D6ATMADORA1
SCHEMBL10276353 0.77 TSHR (0.42) ALDH1A1PDPK1GDAPDE4APDE4B
Adenine SCHEMBL7891002 0.75 PI4KA (0.56) ALDH1A1CYP2D6PDPK1GDAPDE4A
Phosphoric Acid SCHEMBL27565804 0.75 PDE4A (0.56) ADORA3ALDH1A1CYP2D6PDPK1GDA
SCHEMBL14696427 0.74 TYR (0.46)
SCHEMBL16486348 0.74 ALDH1A1 (0.57) MAPTADORA3ALDH1A1CYP2D6ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160228-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENRIFIQUE (CNRS) 2011-06-30 US disclosed
EP-2297075-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION Centre National de la Recherche Scientifique (C.N.R.S) (FR) 2011-03-23 EP disclosed
WO-2009147217-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-12-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110160228-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION TUBB4A, TUBA4A, TUBGCP4 MAPT 132/4885ADORA3 3445/4885ALDH1A1 2212/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.